(E)-3-(2-nitrophenyl)-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-nitrophenyl)-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-nitrophenyl)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one CAS Name: (E)-3-(2-nitrophenyl)-1-[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-propen-1-one IUPAC Name: (E)-3-(2-nitrophenyl)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-nitrophenyl)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=O)C=CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)C(=O)/C=C/C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O5/c27-22(13-12-17-8-2-3-9-18(17)26(29)30)25-16-21(23(28)24-14-6-1-7-15-24)31-20-11-5-4-10-19(20)25/h2-5,8-13,21H,1,6-7,14-16H2/b13-12+/t21-/m0/s1